1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide

C20H25N3O2 — CID 75385102

IUPAC1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-3-2-7-16(19)13-22-17-8-4-6-15(12-17)14-23-11-5-9-18(23)20(21)24/h2-4,6-8,10,12,18,22H,5,9,11,13-14H2,1H3,(H2,21,24)
InChIKeyAVSDCNZYABWOOT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds7

About 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 75385102) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID75385102
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-3-2-7-16(19)13-22-17-8-4-6-15(12-17)14-23-11-5-9-18(23)20(21)24/h2-4,6-8,10,12,18,22H,5,9,11,13-14H2,1H3,(H2,21,24)
InChIKeyAVSDCNZYABWOOT-UHFFFAOYSA-N
XLogP2.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985295
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 134797326
1-[[3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984608
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
N-(diaminomethylidene)-1-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 54108102
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(4-carbamothioyl-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 106788713
(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 129481757

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 75385102) is 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccccc1CNc1cccc(CN2CCCC2C(N)=O)c1.
What is the InChIKey of 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AVSDCNZYABWOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-3-2-7-16(19)13-22-17-8-4-6-15(12-17)14-23-11-5-9-18(23)20(21)24/h2-4,6-8,10,12,18,22H,5,9,11,13-14H2,1H3,(H2,21,24).
What are the key properties of 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75385102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).